Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.45 |
| ▸ | CHAT | P28329 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11101680 | 1.00 | IDO1 (0.61) | IDO1CYP3A4AGXTRELACYP1A2 | |
| SCHEMBL7697733 | 0.82 | RELA (0.47) | IDO1RELACYP1A2CYP2C9GRIK1 | |
| SCHEMBL2771402 | 0.79 | CYP1A2 (0.52) | IDO1CYP3A4AGXTRELACYP1A2 | |
| SCHEMBL2771404 | 0.79 | CYP1A2 (0.52) | IDO1CYP3A4AGXTRELACYP1A2 | |
| SCHEMBL2097935 | 0.79 | RELA (0.45) | RELACYP1A2CYP2C9GRIK1GRIK2 | |
| SCHEMBL2097937 | 0.79 | RELA (0.45) | RELACYP1A2CYP2C9GRIK1GRIK2 | |
| SCHEMBL11128111 | 0.79 | IDO1 (0.61) | IDO1RELAFBP1MAOB | |
| SCHEMBL11110560 | 0.79 | IDO1 (0.61) | IDO1CYP3A4AGXTRELACYP1A2 | |
| SCHEMBL11128107 | 0.79 | IDO1 (0.61) | IDO1RELAFBP1MAOB | |
| SCHEMBL11110559 | 0.79 | IDO1 (0.61) | IDO1CYP3A4AGXTRELACYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4425360-A | Pharmacologically active novel O-substituted pyruvic acid oximes | BOEHRINGER MANNHEIM GMBH (DE) | 1984-01-10 | — | — | US | disclosed |
| EP-0048911-A2 | O-substituted oximes of alpha-ketocarboxylic acid, preparation and pharmaceutical compositions | Roche Diagnostics GmbH (DE) | 1982-04-07 | — | — | EP | disclosed |